SCHEMBL7765574

SCHEMBL7765574

COc1cccc(CC2N(OC(=O)C(O)C(O)C(=O)O)CCCC2(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cadaverine Tartrate SCHEMBL7768534 0.75 EED (0.42) FFAR1L3MBTL1MEN1KMT2AALDH1A1
Cadaverine Tartrate SCHEMBL7765577 0.67 CHRM4 (0.42) FFAR1L3MBTL1MEN1KMT2A
SCHEMBL27989829 0.64 MEN1 (0.48) L3MBTL1MEN1KMT2AALDH1A1LMNA
Cadaverine Tartrate SCHEMBL8034056 0.63 HSD11B1 (0.48) ALDH1A1GAAMAPK1KDM4E
SCHEMBL27318039 0.63 L3MBTL1 (0.55) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL7764713 0.62 EED (0.51) MEN1KMT2AALDH1A1
SCHEMBL26128078 0.62 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL30601824 0.62 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL7511969 0.62 TAAR1 (0.58) MEN1KMT2AALDH1A1LMNA
SCHEMBL1368547 0.62 TAAR1 (0.58) MEN1KMT2AALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842153-B1 METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2\"R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE BOEHRINGER INGELHEIM PHARMA (DE) 2001-05-30 EP claimed
US-5945535-A Method of preparing norbenzomorphanes BOEHRINGER INGELHEIM KG (DE) 1999-08-31 US claimed
US-6140502-A Heat-based process for the re-racemisation of a (-)-2-phenylmethyl-3,3-dimethyl-piperidin-4-on derivative BOEHRINGER INGELHEIM KG (DE) 2000-10-31 US disclosed
US-6136980-A Method of preparing norbenzomorphane as an intermediate in the preparation of pharmaceutically useful benzomorphane derivatives, in particular (-)-(1R,5S,2\"R)-3'-hydroxy-2-(2-methoxypropyl)-5,9,9-trimethyl-6,7-benzo morphane BOEHRINGER INGELHEIM KG (DE) 2000-10-24 US disclosed
US-6054604-A Method of preparing norbenzomorphane as an intermediate BOEHRINGER INGELHEIM KG (DE) 2000-04-25 US disclosed
US-5945535-A Method of preparing norbenzomorphanes BOEHRINGER INGELHEIM KG (DE) 1999-08-31 US disclosed